Details of the Drug

General Information of Drug (ID: DMXVU6D)

Drug Name
Diphemanil Methylsulfate
Synonyms
Demotil; Diphemanil; Diphemanilum; Diphenatil; Diphenmethanil; Nivelon; Nivelona; Prantal; Prantil; Prentol; Talpran; Vagophemanil; Variton; Diphemanil methosulfate; Diphemanil methyl sulfate; Diphemanil methylsulphate; Diphemanil metilsulfate; Diphemanili metilsulfas; Diphenmanil methyl sulfate; Diphenmanil methylsulfate; Diphenmethanil methyl sulfate; Diphenmethanil methylsulfate; Metilsulfate de diphemanil; Metilsulfato de difemanilo; Prantal methylsulfate; Vagophemanil methyl sulfate; Ban-guard; Diphemanil methylsulfate [INN:BAN]; Diphemanil metilsulfate (INN); Diphemanili metilsulfas [INN-Latin]; Metilsulfate de diphemanil [INN-French]; Metilsulfato de difemanilo [INN-Spanish]; Prantal (TN); Ban-Guard (Veterinary); P-(alpha-Phenylbenzylidene)-1,1-dimethylpiperidinium methyl sulfate; N,N-Dimethyl-4-piperidylidene-1,1-diphenylmethane methylsulfate; P-(alpha.-Phenylbenzylidene)-1,1-dimethylpiperidinium methyl sulfate; Piperidinium, 4-(diphenylmethylene)-1,1-dimethyl-, methyl sulfate; 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate; 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methylsulfate; 4-(diphenylmethylidene)-1,1-dimethylpiperidinium methyl sulfate; 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium
Indication
Disease Entry ICD 11 Status REF
Peptic ulcer DA61 Approved [1]
Therapeutic Class
Parasympatholytics
ATC Code
A03AB15: Diphemanil Methylsulfate
A03AB: Synthetic anticholinergics, quaternary ammonium compounds
A03A: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A: ALIMENTARY TRACT AND METABOLISM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 389.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
ADMET Property
Bioavailability
The bioavailability of drug is 15-25% []
Chemical Identifiers
Formula
C21H27NO4S
IUPAC Name
4-benzhydrylidene-1,1-dimethylpiperidin-1-ium;methyl sulfate
Canonical SMILES
C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-]
InChI
InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey
BREMLQBSKCSNNH-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
6126
ChEBI ID
CHEMBL59782
CAS Number
62-97-5
UNII
Q26TX1UD0W
DrugBank ID
DB13720
TTD ID
D0OK5Q
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor M1 (CHRM1) TTZ9SOR ACM1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Peptic ulcer
ICD Disease Classification DA61
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Muscarinic acetylcholine receptor M1 (CHRM1) DTT CHRM1 5.59E-01 0.19 0.41
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Drug information of Diphemanil Methylsulfate, 2008. eduDrugs.
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.